5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile

C44H24N4O — CID 163502048

IUPAC5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-n1c2ccccc2c2cccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C44H24N4O/c45-25-27-23-29(47-38-19-5-1-11-30(38)31-12-2-6-20-39(31)47)24-28(26-46)42(27)48-40-21-7-3-13-32(40)34-15-9-16-35(43(34)48)37-18-10-17-36-33-14-4-8-22-41(33)49-44(36)37/h1-24H
InChIKeyCVOUXQGNDFKNGO-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile

5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 163502048) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID163502048
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-n1c2ccccc2c2cccc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C44H24N4O/c45-25-27-23-29(47-38-19-5-1-11-30(38)31-12-2-6-20-39(31)47)24-28(26-46)42(27)48-40-21-7-3-13-32(40)34-15-9-16-35(43(34)48)37-18-10-17-36-33-14-4-8-22-41(33)49-44(36)37/h1-24H
InChIKeyCVOUXQGNDFKNGO-UHFFFAOYSA-N
XLogP11.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.70
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-isocyanophenyl]benzonitrile
CID 140794021
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
5-carbazol-9-yl-2-dibenzofuran-4-yloxybenzonitrile
CID 146374095
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329198
3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 129291177
2-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(5-cyano-2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 170253811
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159419
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153889

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 163502048) is 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-n1c2ccccc2c2cccc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is CVOUXQGNDFKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-23-29(47-38-19-5-1-11-30(38)31-12-2-6-20-39(31)47)24-28(26-46)42(27)48-40-21-7-3-13-32(40)34-15-9-16-35(43(34)48)37-18-10-17-36-33-14-4-8-22-41(33)49-44(36)37/h1-24H.
What are the key properties of 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile?
5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 624.70 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-(1-dibenzofuran-4-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 163502048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).